Materials Data on TmAgTe2 by Materials Project

Abstract

TmAgTe2 crystallizes in the tetragonal P-42_1m space group. The structure is three-dimensional. Tm3+ is bonded to six equivalent Te2- atoms to form TmTe6 octahedra that share corners with eight equivalent TmTe6 octahedra, corners with four equivalent AgTe4 tetrahedra, edges with two equivalent TmTe6 octahedra, and edges with four equivalent AgTe4 tetrahedra. The corner-sharing octahedra tilt angles range from 42–56°. There are a spread of Tm–Te bond distances ranging from 3.02–3.13 Å. Ag1+ is bonded to four equivalent Te2- atoms to form distorted AgTe4 tetrahedra that share corners with four equivalent TmTe6 octahedra, corners with four equivalent AgTe4 tetrahedra, and edges with four equivalent TmTe6 octahedra. The corner-sharing octahedral tilt angles are 62°. All Ag–Te bond lengths are 2.89 Å. Te2- is bonded in a 5-coordinate geometry to three equivalent Tm3+ and two equivalent Ag1+ atoms.